/********************************************************** This software is part of J.-S. Caux's ABACUS library. Copyright (c) J.-S. Caux. ----------------------------------------------------------- File: Smoothen_LiebLin_DSF_GeneralState.cc Purpose: produces .dsf and .ssf files from a .raw file ***********************************************************/ #include "ABACUS.h" using namespace std; using namespace ABACUS; int main(int argc, char* argv[]) { if (argc != 13) { // Print out instructions cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl; cout << endl << "Usage of Smoothen_LiebLin_DSF executable: " << endl; cout << endl << "Provide the following arguments:" << endl << endl; cout << "char whichDSF \t\t Which structure factor should be calculated ? Options are: d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl; cout << "DP c_int \t\t Value of the interaction parameter" << endl; cout << "DP L \t\t\t Length of the system" << endl; cout << "int N \t\t\t Number of particles" << endl; cout << "char* defaultScanStatename:\t\t file [].Ix2 contains the quantum numbers defining the AveragingState; used as defaultScanStatename" << endl; cout << "int iKmin" << endl << "int iKmax \t\t Min and max momentum integers" << endl; //cout << "DP kBT \t\t Temperature" << endl; cout << "int DiK \t\t\t Window of iK over which DSF is averaged (DiK == 0 means a single iK is used; DiK == 1 means 3 are used (iK-1, iK, iK+1), etc.)" << endl; cout << "DP ommin" << endl << "DP ommax \t\t Min and max frequencies to cover in smoothened DSF" << endl; cout << "Nom \t\t\t Number of frequency points used for discretization" << endl; cout << "DP width \t\t Gaussian width used in smoothing, in units of two-particle level spacing" << endl; cout << endl << "EXAMPLE: " << endl << endl; cout << "Smoothen_LiebLin_DSF d 1.0 100.0 100 0 200 5.0 1 0.0 10.0 500 2.0" << endl << endl; } else if (argc == 13) { // !fixed_iK int n = 1; char whichDSF = *argv[n++]; DP c_int = atof(argv[n++]); DP L = atof(argv[n++]); int N = atoi(argv[n++]); char* Ix2filenameprefix = argv[n++]; int iKmin = atoi(argv[n++]); int iKmax = atoi(argv[n++]); //DP kBT = atof(argv[7]); DP kBT = 0.0; int DiK = atoi(argv[n++]); DP ommin = atof(argv[n++]); DP ommax = atof(argv[n++]); int Nom = atoi(argv[n++]); DP width = atof(argv[n++]); stringstream filenamestrstream; filenamestrstream << Ix2filenameprefix; string defaultScanStatename = filenamestrstream.str(); stringstream filenameprefix; //void Data_File_Name (stringstream& name, char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT, DP L2) //Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, ""); Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, defaultScanStatename); string prefix = filenameprefix.str(); DP normalization = twoPI * L; DP denom_sum_K = L; Write_K_File (L, iKmin, iKmax); Write_Omega_File (Nom, ommin, ommax); //cout << "Smoothing: sumcheck = " << Smoothen_RAW_into_SF (prefix, iKmin, iKmax, ommin, ommax, Nom, width, normalization) << endl; // We use the scaled width function as default: DP sumcheck; //if (kBT < 0.1) //sumcheck = Smoothen_RAW_into_SF_LiebLin_Scaled (prefix, L, N, iKmin, iKmax, DiK, ommin, ommax, Nom, width, normalization); sumcheck = Smoothen_RAW_into_SF (prefix, iKmin, iKmax, DiK, ommin, ommax, Nom, width, normalization, denom_sum_K); //else sumcheck = Smoothen_RAW_into_SF (prefix, iKmin, iKmax, ommin, ommax, Nom, width, normalization); //cout << "Smoothing: sumcheck = " << sumcheck << endl; } /* else if (argc == 11) { // fixed_iK char whichDSF = *argv[1]; DP c_int = atof(argv[2]); DP L = atof(argv[3]); int N = atoi(argv[4]); int iK_UL = atoi(argv[5]); int iKneeded = atoi(argv[6]); DP ommin = atof(argv[7]); DP ommax = atof(argv[8]); int Nom = atoi(argv[9]); DP gwidth = atof(argv[10]); //bool fixed_iK = true; //LiebLin_Bethe_State GroundState (c_int, L, N, iK_UL, 0LL); stringstream filenameprefix; //Data_File_Name (filenameprefix, whichDSF, fixed_iK, iKneeded, GroundState, GroundState); //Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iK_UL, fixed_iK, iKneeded, 0.0); Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iK_UL, iKneeded, iKneeded, 0.0); string prefix = filenameprefix.str(); DP normalization = twoPI * L; int iKmin = iKneeded; int iKmax = iKneeded; cout << "Smoothing: sumcheck = " << Smoothen_RAW_into_SF (prefix, iKmin, iKmax, ommin, ommax, Nom, gwidth, normalization) << endl; } */ //else ABACUSerror("Wrong number of arguments to Smoothen_LiebLin_DSF executable."); return(0); }